SCHEMBL4029121

SCHEMBL4029121

Cc1cn(C)cc1C(=S)Nc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.41
CHRM3 P20309 6/20 0.40
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
STAT3 P40763 1/20 0.34
MET P08581 1/20 0.34
AXL P30530 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4033425 0.88 TDP1 (0.42) CHRM3ALDH1A1LMNASLC6A4SLC6A3
SCHEMBL4027388 0.85 CHRM3 (0.41) QPCTCHRM3NTRK1ALDH1A1LMNA
SCHEMBL13848814 0.85 NTRK1 (0.53) CHRM3NTRK1ALDH1A1LMNASLC6A4
SCHEMBL4027784 0.84 CHRM3 (0.39) QPCTCHRM3NTRK1ALDH1A1LMNA
SCHEMBL4026785 0.82 CHRM3 (0.44) QPCTCHRM3NTRK1ALDH1A1LMNA
SCHEMBL4030948 0.75 CHRM3 (0.40) CHRM3ALDH1A1LMNASLC6A4SLC6A3
SCHEMBL4023977 0.75 CHRM3 (0.50) CHRM3NTRK1ALDH1A1LMNASLC6A4
SCHEMBL4028060 0.74 TDP1 (0.39) CHRM3ALDH1A1LMNASLC6A4SLC6A3
SCHEMBL4029697 0.71 CHRM3 (0.43) CHRM3ALDH1A1LMNASLC6A4SLC6A3
SCHEMBL9311074 0.70 L3MBTL1 (0.49) CHRM3NTRK1ALDH1A1LMNASLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed